ChemSpider 2D Image | 4,4'-[(1S,2S)-1,2-Cyclopropanediyl]di(2,6-piperazinedione) | C11H14N4O4

4,4'-[(1S,2S)-1,2-Cyclopropanediyl]di(2,6-piperazinedione)

  • Molecular FormulaC11H14N4O4
  • Average mass266.253 Da
  • Monoisotopic mass266.101501 Da
  • ChemSpider ID34244965
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2,6-Piperazinedione, 4,4'-[(1S,2S)-1,2-cyclopropanediyl]bis- [ACD/Index Name]
4,4'-[(1S,2S)-1,2-Cyclopropandiyl]di(2,6-piperazindion) [German] [ACD/IUPAC Name]
4,4'-[(1S,2S)-1,2-Cyclopropanediyl]di(2,6-piperazinedione) [ACD/IUPAC Name]
4,4'-[(1S,2S)-1,2-Cyclopropanediyl]di(2,6-pipérazinedione) [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 584.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 307.1±30.1 °C
Index of Refraction: 1.622
Molar Refractivity: 61.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.71
ACD/LogD (pH 5.5): -1.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.19
ACD/LogD (pH 7.4): -1.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.19
Polar Surface Area: 99 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 73.2±3.0 dyne/cm
Molar Volume: 173.6±3.0 cm3

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